Book/Report

FZJ-2020-00398

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Diffusion in models for disordered media without lattice-translational invariance

Mussawisade, K. (Corresponding author)FZJ*

2000
Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich

Please use a persistent id in citations: http://hdl.handle.net/2128/23955

Report No.: Juel-3754

Abstract: The central theme of the present work is the diffusion of interstitial particles in models for disorder without translational invariance. For realistic disordered systems with lack of lattice-translational invariance, i.e. amorphous metals or glasses, any attempts to perform analytic calculations of the diffusion coefficient of interstitials seem hopeless. Hence one has to resort to numerical calculations. In this work an atomic configuration of a glass, which was calculated by MD simulations, is taken as the basis for the calculations. The position of equilibrium sites for the interstitial and the jump rates between the sites in the configuration are calculated by considering the underlying potential surface. The sites are connected by finding optimal paths between two neighbor sites. In this way a disordered network of sites was constructed, which can be considered as a disorder model which is more realistic than conventional disorder models, where disordered rates are introduced on regular lattices. Monte Carlo simulation are then performed in order to investigate the diffusion.

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Contributing Institute(s):

1. Publikationen vor 2000 (PRE-2000 ; Retrocat)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)

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Database coverage:

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